| SpectraBase Spectrum ID |
1yHgpGwvx5w |
| Name |
Sesquisabinene hydrate (IPP vs. OH) |
| CAS Registry Number |
58319-05-4 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3/t12?,13-,14+,15-/m0/s1 |
| InChIKey |
IRDFGGRWKUKANK-DKUMPPAJSA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
154 |
| SMILES |
O[C@]1([C@]2([C@@](C(CCC=C(C)C)C)(CC1)C2)[H])C |
| SPLASH |
splash10-00kf-9400000000-b3327a2b5f0d66557832 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001257 |
